3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide

C13H21N3O3S — CID 119728935

IUPAC3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide
SMILESCCS(=O)(=O)N(C)CCCNC(=O)c1cccc(N)c1
InChIInChI=1S/C13H21N3O3S/c1-3-20(18,19)16(2)9-5-8-15-13(17)11-6-4-7-12(14)10-11/h4,6-7,10H,3,5,8-9,14H2,1-2H3,(H,15,17)
InChIKeyAWOPVTUXWSGFAY-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.67
Rot. Bonds7

About 3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide

3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide (PubChem CID 119728935) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide
PubChem CID119728935
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide
SMILESCCS(=O)(=O)N(C)CCCNC(=O)c1cccc(N)c1
InChIInChI=1S/C13H21N3O3S/c1-3-20(18,19)16(2)9-5-8-15-13(17)11-6-4-7-12(14)10-11/h4,6-7,10H,3,5,8-9,14H2,1-2H3,(H,15,17)
InChIKeyAWOPVTUXWSGFAY-UHFFFAOYSA-N
XLogP0.67
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-hexadecylbenzamide;hydrochloride
CID 45049404
3-amino-N-[3-(ethylsulfonylamino)propyl]benzamide
CID 119763137
4-chloro-N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-methylsulfonylbenzamide
CID 55963196
3-amino-N-[3-[benzyl(methyl)amino]propyl]benzamide;dihydrochloride
CID 119835670
3-amino-N-[4-(dimethylamino)-4-oxobutyl]benzamide
CID 119748277
3-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide;dihydrochloride
CID 119874425
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide;dihydrochloride
CID 119851139
3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide
CID 103814251
N-(2-acetamidoethyl)-3-aminobenzamide;hydrochloride
CID 119684027
3-[(3-aminobenzoyl)amino]propyl sulfamate
CID 121382844
3-(dimethylamino)-N-[3-[methyl(methylsulfonyl)amino]propyl]benzamide
CID 46434078
3-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide
CID 54937953

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide?
The IUPAC name of 3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide (CID 119728935) is 3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide.
What is the SMILES notation for 3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide?
The canonical SMILES for 3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide is CCS(=O)(=O)N(C)CCCNC(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide?
The InChIKey is AWOPVTUXWSGFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-3-20(18,19)16(2)9-5-8-15-13(17)11-6-4-7-12(14)10-11/h4,6-7,10H,3,5,8-9,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide?
3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide has a molecular weight of 299.40 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide is sourced from PubChem (CID 119728935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).